7,8-dimethyl-4-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]coumarin Formula: C20H15N3O5S MolecularWeight: 409.4152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H15N3O5S/c1-11-6-7-16-14(9-17(24)27-18(16)12(11)2)10-29-20-22-21-19(28-20)13-4-3-5-15(8-13)23(25)26/h3-9H,10H2,1-2H3